(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide

C19H24N2O3 — CID 22691311

IUPAC(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(OC)c(CCNC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-23-16-8-9-18(24-2)15(13-16)10-11-21-19(22)17(20)12-14-6-4-3-5-7-14/h3-9,13,17H,10-12,20H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyHUDPOXWIGKGTQT-KRWDZBQOSA-N
MW328.41 g/mol
LogP1.93
Rot. Bonds8

About (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide (PubChem CID 22691311) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
PubChem CID22691311
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(OC)c(CCNC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-23-16-8-9-18(24-2)15(13-16)10-11-21-19(22)17(20)12-14-6-4-3-5-7-14/h3-9,13,17H,10-12,20H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyHUDPOXWIGKGTQT-KRWDZBQOSA-N
XLogP1.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 119303471
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119705610
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
(2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688621
2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667021
(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
CID 119335528
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-benzyl-3-[3-(2,5-dimethoxyphenyl)propanoylamino]propanoic acid
CID 119233953
(2R)-2-amino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 68733160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide (CID 22691311) is (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide is COc1ccc(OC)c(CCNC(=O)[C@@H](N)Cc2ccccc2)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is HUDPOXWIGKGTQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-16-8-9-18(24-2)15(13-16)10-11-21-19(22)17(20)12-14-6-4-3-5-7-14/h3-9,13,17H,10-12,20H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 328.41 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 22691311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).